5-butan-2-yl-3-methyl-2H-indazole

C12H16N2 — CID 91164827

IUPAC5-butan-2-yl-3-methyl-2H-indazole
SMILESCCC(C)c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C12H16N2/c1-4-8(2)10-5-6-12-11(7-10)9(3)13-14-12/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyUGRYLYHYNOBTGU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.38
Rot. Bonds2

About 5-butan-2-yl-3-methyl-2H-indazole

5-butan-2-yl-3-methyl-2H-indazole (PubChem CID 91164827) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-2H-indazole
PubChem CID91164827
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-butan-2-yl-3-methyl-2H-indazole
SMILESCCC(C)c1ccc2n[nH]c(C)c2c1
InChIInChI=1S/C12H16N2/c1-4-8(2)10-5-6-12-11(7-10)9(3)13-14-12/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyUGRYLYHYNOBTGU-UHFFFAOYSA-N
XLogP3.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butan-2-yl-3-propan-2-yl-2H-indazole
CID 166843518
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
CID 55196536
6-butan-2-yl-N,2-dimethylquinolin-4-amine
CID 62195936
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
6-butan-2-yl-N-methylquinolin-4-amine
CID 62190635
3-(3-butan-2-ylphenyl)-5-methyl-1H-pyrazole
CID 166536495
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
6-butan-2-yl-4-chloro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743553
6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
CID 60999414
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-2H-indazole?
The IUPAC name of 5-butan-2-yl-3-methyl-2H-indazole (CID 91164827) is 5-butan-2-yl-3-methyl-2H-indazole.
What is the SMILES notation for 5-butan-2-yl-3-methyl-2H-indazole?
The canonical SMILES for 5-butan-2-yl-3-methyl-2H-indazole is CCC(C)c1ccc2n[nH]c(C)c2c1.
What is the InChIKey of 5-butan-2-yl-3-methyl-2H-indazole?
The InChIKey is UGRYLYHYNOBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-8(2)10-5-6-12-11(7-10)9(3)13-14-12/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-butan-2-yl-3-methyl-2H-indazole?
5-butan-2-yl-3-methyl-2H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-2H-indazole is sourced from PubChem (CID 91164827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).